ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azidomethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azidomethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azidomethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azidomethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azidomethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(azidomethyl)triazole-4-carboxylic acid ethyl ester Formula: C8H9N9O3 MolecularWeight: 279.21556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN=[N+]=[N-]

InChI

InChI=1S/C8H9N9O3/c1-2-19-8(18)5-4(3-11-15-10)17(16-12-5)7-6(9)13-20-14-7/h2-3H2,1H3,(H2,9,13)